CAS No.108-45-2,m-Phenylenediamine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	108-45-2
Name:	m-Phenylenediamine
Article Data:	337
Cas Database

Formula:	C₆H₈N₂
Molecular Weight:	108.143
Synonyms:	m-Phenylenediamine(8CI);1,3-Diaminobenzene;1,3-Diaminophenylene;1,3-Phenylenediamine;3-Aminoaniline;C.I. Developer 11;Developer C;Developer H;Developer M;Direct Brown BR;Direct Brown GG;NSC 4776;RT 30H;m-Aminoaniline;m-Benzenediamine;m-Diaminobenzene;N-butyl anhydride;metaphenylene diamine;1,3-Benzenediamine;
EINECS:	203-584-7
Density:	1.15 g/cm³
Melting Point:	64-66 °C(lit.)
Boiling Point:	283.2 °C at 760 mmHg
Flash Point:	147.6 °C
Solubility:	350 g/L (25 °C) in water
Appearance:	Gray to white crystal melting
Hazard Symbols:	T,N
Risk Codes:	23/24/25-36-43-50/53-68-40
Safety:	28-36/37-45-60-61
Transport Information:	UN 1673 6.1/PG 3
PSA:	52.04000
LogP:	2.01340

Synthetic route

: 99-65-0
meta-dinitrobenzene

: 108-45-2
m-phenylenediamine

Conditions

Conditions	Yield
With sodium tetrahydroborate In water at 20℃; for 1h;	100%
With hydrogen; sodium fluoride In methanol at 39.84℃; for 2.17h;	100%
With hydrogen In ethanol at 20℃; under 760.051 Torr; for 3h; chemoselective reaction;	100%

: 99-09-2
3-nitro-aniline

: 108-45-2
m-phenylenediamine

Conditions

Conditions	Yield
With C37H23Cl2N7Pd2(2+)*2F6P(1-); hydrogen; sodium cyanoborohydride In methanol at 50℃; under 760.051 Torr; for 6h;	100%
With potassium fluoride; polymethylhydrosiloxane; palladium diacetate In tetrahydrofuran; water at 20℃; for 0.5h;	99%
With potassium fluoride; polymethylhydrosiloxane; palladium diacetate In tetrahydrofuran at 20℃; for 0.5h;	99%

: 108-36-1
1,3-dibromobenzene

: 108-45-2
m-phenylenediamine

Conditions

Conditions	Yield
With C24H12Cu2F9N4O7; tetrabutylammomium bromide; ammonia; caesium carbonate In water at 110 - 140℃; for 16h;	99%
With {(o-C6H4(NCHC6H4O)2)cobalt(II)}2; ammonia at 150℃; under 1500.15 Torr; for 10h; Autoclave; Inert atmosphere; Large scale;	73%
With ammonia; water; copper(II) sulfate at 175 - 180℃;

: 626-00-6
1,3-Diiodobenzene

: 108-45-2
m-phenylenediamine

Conditions

Conditions	Yield
With [Cu2(2,7-bis(pyridin-2-yl)-l,8-naphthyridine)(OH)(CF3COO)3]; tetrabutylammomium bromide; ammonia; caesium carbonate In water at 120℃; for 16h; Sealed tube; chemoselective reaction;	99%
With copper(l) iodide; 1,2,4,5-tetramethylbenzene; ammonia at 20℃; for 15h; Reagent/catalyst;	94%

: 1740-57-4
isophthalamide

: 108-45-2
m-phenylenediamine

Conditions

Conditions	Yield
With sodium hypochlorite; water at -5 - 50℃; for 2h; Temperature; Inert atmosphere;	97%
With sodium hypochlorite In water at -5 - 50℃; for 4h; Temperature; Hofmann Rearrangement; Inert atmosphere;	84.2%
With sodium hypochlorite at 45℃; for 6h; Green chemistry;	92 g
With sodium hypochlorite; potassium hydroxide at 0 - 80℃; Hofmann Rearrangement; Inert atmosphere;	7.1 g

: 6283-25-6
H2NC6H3(Cl)NO2

: 108-45-2
m-phenylenediamine

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrazine hydrate In methanol at 120℃; for 0.25h; Microwave irradiation;	96%

: 108-37-2
1-bromo-3-chlorobenzene

: 108-45-2
m-phenylenediamine

Conditions

Conditions	Yield
With ammonium hydroxide In water at 20℃; for 9h; Green chemistry;	96%

: 14994-81-1
m-aminophenyl azide

: 108-45-2
m-phenylenediamine

Conditions

Conditions	Yield
With hydrazinium monoformate; zinc In methanol at 20℃; for 0.15h;	95%

: C8H6N2O4(2-)*2K(1+)

: 108-45-2
m-phenylenediamine

Conditions

Conditions	Yield
In water; acetonitrile at 110℃; for 2h;	95%

: 591-19-5
3-bromoaniline

: 108-45-2
m-phenylenediamine

Conditions

Conditions	Yield
With copper(I) oxide; ammonium hydroxide In 1-methyl-pyrrolidin-2-one at 80℃; for 24h;	94%
With copper(l) iodide; tetra(n-butyl)ammonium hydroxide; ammonia In water at 80℃; for 48h; Inert atmosphere; Sealed tube; chemoselective reaction;	75%

Raw Materials

7727-37-9

64-19-7

618-86-0

121-14-2

108-36-1

619-27-2

246-42-4

Downstream Products

123-61-5

Total:149 Page 1 of 4 1 2 3 4 Next>>

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Consensus Reports

IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 16 ,1978,p. 111.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

Standards and Recommendations

ACGIH TLV: TWA 0.1 mg/m³; Not Classifiable as a Human Carcinogen
DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans
DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD

Specification

1,3-Benzenediamine, its cas register number is 108-45-2. It also can be call 1,3-Phenylenediamine; 3-Aminoaniline;
Benzene, 1,3-diamino-; Metaphenylenediamine; m-Aminoaniline; m-Benzenediamine; m-Diaminobenzene; m-Fenylendiamin; m-Phenylenediamine. 1,3-diaminobenzene, is an organic compound with the formula C₆H₄(NH₂)₂. It is an isomer of o-phenylenediamine and p-phenylenediamine. It is a colourless solid. m-Phenylenediamine is produced by hydrogenation of 1,3-dinitrobenzene. The dinitrobenzene is prepared by dinitration of benzene.

Physical properties about 1,3-Benzenediamine are: (1)ACD/LogP: -0.306; (2)ACD/LogD (pH 5.5): -0.40; (3)ACD/LogD (pH 7.4): -0.31; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 13.08; (7)ACD/KOC (pH 7.4): 16.19; (8)#H bond acceptors: 2 ; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.66 ; (12)Molar Refractivity: 34.725 cm³; (13)Molar Volume: 93.994 cm³; (14)Polarizability: 13.766 10-24cm³; (15)Surface Tension: 57.5979995727539 dyne/cm; (16)Density: 1.15 g/cm³; (17)Flash Point: 147.572 °C; (18)Enthalpy of Vaporization: 52.208 kJ/mol; (19)Boiling Point: 283.179 °C at 760 mmHg; (20)Vapour Pressure: 0.00300000002607703 mmHg at 25°C

Uses of 1,3-Benzenediamine: 1,3-Benzenediamine is used in the preparation various polymers including aramid fibers, epoxy resins, wire enamel coatings and polyurea elastomers. Other uses for m-phenylenediamine include as an accelerator for adhesive resins, and as a component of dyes for leather and textiles.

When you are using this chemical, please be cautious about it as the following:
1. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer);
2. Wear suitable protective clothing and gloves;
3. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
4. This material and/or its container must be disposed of as hazardous waste;
5. Avoid release to the environment. Refer to special instructions safety data sheet;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2;
(2)InChIKey=WZCQRUWWHSTZEM-UHFFFAOYSA-N;
(3)Smilesc1c(cccc1N)N;

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
bird - wild	LD50	oral	562mg/kg (562mg/kg)		Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
cat	LDLo	oral	300mg/kg (300mg/kg)	LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923.
dog	LDLo	intravenous	17mg/kg (17mg/kg)		Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923.
dog	LDLo	subcutaneous	100mg/kg (100mg/kg)		National Technical Information Service. Vol. OTS0555804,
guinea pig	LD50	oral	450mg/kg (450mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(7), Pg. 62, 1988.
guinea pig	LD50	unreported	450mg/kg (450mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(8), Pg. 46, 1987.
mouse	LD50	oral	67700ug/kg (67.7mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(7), Pg. 62, 1988.
mouse	LD50	subcutaneous	90mg/kg (90mg/kg)		Kyushu Journal of Medical Science. Vol. 13, Pg. 175, 1962.
mouse	LD50	unreported	65300ug/kg (65.3mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(8), Pg. 46, 1987.
mouse	LDLo	intraperitoneal	400mg/kg (400mg/kg)		Revue Belge de Pathologie et de Medecine Experimentale. Vol. 22, Pg. 1, 1952.
rabbit	LD50	oral	437mg/kg (437mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(7), Pg. 62, 1988.
rabbit	LD50	unreported	438mg/kg (438mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(8), Pg. 46, 1987.
rabbit	LDLo	skin	1500mg/kg (1500mg/kg)	LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION	National Technical Information Service. Vol. OTS0555804,
rabbit	LDLo	subcutaneous	200mg/kg (200mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS	Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923.
rat	LD50	intraperitoneal	283mg/kg (283mg/kg)		Journal of Toxicology and Environmental Health. Vol. 2, Pg. 657, 1977.
rat	LD50	oral	280mg/kg (280mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(7), Pg. 62, 1988.
rat	LD50	unreported	351mg/kg (351mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(8), Pg. 46, 1987.
rat	LDLo	subcutaneous	80mg/kg (80mg/kg)		National Technical Information Service. Vol. OTS0555804,

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